Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17192
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Citation: Liu, Gaohua; Xiao, Rong; Janjua, Haleema; Ciccosanti, Colleen; Shastry, Ritu; Acton, Thomas; Everett, John; Montelione, Gaetano. "Northeast Structural Genomics Consortium Target HR4495E" To be published ., .-..
Assembly members:
HR4495E, polymer, 126 residues, 14070.131 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET 14-15C
Entity Sequences (FASTA):
HR4495E: MGHHHHHHSHMNSAEQTVTW
LITLGVLESPKKTISDPEGF
LQASLKDGVVLCRLLERLLP
GTIEKVYPEPRSESECLSNI
REFLRGCGASLRLETFDAND
LYQGQNFNKVLSSLVTLNKV
TADIGL
Data type | Count |
13C chemical shifts | 518 |
15N chemical shifts | 128 |
1H chemical shifts | 856 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | HR4495E | 1 |
Entity 1, HR4495E 126 residues - 14070.131 Da.
sequence contains N-terminal His-tag: MGHHHHHHSHM
1 | MET | GLY | HIS | HIS | HIS | HIS | HIS | HIS | SER | HIS | ||||
2 | MET | ASN | SER | ALA | GLU | GLN | THR | VAL | THR | TRP | ||||
3 | LEU | ILE | THR | LEU | GLY | VAL | LEU | GLU | SER | PRO | ||||
4 | LYS | LYS | THR | ILE | SER | ASP | PRO | GLU | GLY | PHE | ||||
5 | LEU | GLN | ALA | SER | LEU | LYS | ASP | GLY | VAL | VAL | ||||
6 | LEU | CYS | ARG | LEU | LEU | GLU | ARG | LEU | LEU | PRO | ||||
7 | GLY | THR | ILE | GLU | LYS | VAL | TYR | PRO | GLU | PRO | ||||
8 | ARG | SER | GLU | SER | GLU | CYS | LEU | SER | ASN | ILE | ||||
9 | ARG | GLU | PHE | LEU | ARG | GLY | CYS | GLY | ALA | SER | ||||
10 | LEU | ARG | LEU | GLU | THR | PHE | ASP | ALA | ASN | ASP | ||||
11 | LEU | TYR | GLN | GLY | GLN | ASN | PHE | ASN | LYS | VAL | ||||
12 | LEU | SER | SER | LEU | VAL | THR | LEU | ASN | LYS | VAL | ||||
13 | THR | ALA | ASP | ILE | GLY | LEU |
sample_NC: HR4495E, [U-100% 13C; U-100% 15N], 0.87 mM; H2O 95%; D2O 5%
sample_NC5: HR4495E, [U-5% 13C; U-100% 15N], 0.85 mM; H2O 95%; D2O 5%
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_NC | isotropic | sample_conditions_1 |
2D 1H-13C HSQC ct 28 | sample_NC5 | isotropic | sample_conditions_1 |
3D HNCO | sample_NC | isotropic | sample_conditions_1 |
3D CBCA(CO)NH | sample_NC | isotropic | sample_conditions_1 |
3D HNCACB | sample_NC | isotropic | sample_conditions_1 |
3D 1H-13C arom NOESY | sample_NC | isotropic | sample_conditions_1 |
3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY | sample_NC | isotropic | sample_conditions_1 |
2D 1H-13C HSQC ct 42 | sample_NC5 | isotropic | sample_conditions_1 |
3D HBHA(CO)NH | sample_NC | isotropic | sample_conditions_1 |
3D CC(CO)NH TOCSY | sample_NC | isotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_NC | isotropic | sample_conditions_1 |
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - geometry optimization, refinemen, structure solution
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - geometry optimization, refinemen, structure solution
AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis, refinement
AutoAssign v2.1, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment, data analysis
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
XEASY, Bartels et al. - chemical shift assignment, data analysis, peak picking
TOPSPIN, Bruker Biospin - collection
VNMRJ, Varian - collection
TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization
PDB | |
DBJ | BAC97874 BAE23905 |
EMBL | CAD38906 |
GB | ACE87830 ACT64348 EAX09145 EAX09148 ELK14885 |
REF | NP_001106989 NP_663788 XP_001365011 XP_003778289 XP_004054793 |
SP | Q9ES28 |
AlphaFold | Q9ES28 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks